4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanoic acid

Systemtic Name: 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanoic acid Openeye Name: 4-[4-(2-quinolylmethylsulfanyl)phenoxy]butanoic acid CAS Name: 4-[4-(2-quinolinylmethylthio)phenoxy]butanoic acid IUPAC Name: 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanoic acid Traditional Name: 4-[4-(2-quinolylmethylthio)phenoxy]butyric acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=CC=C(C=C3)OCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=CC=C(C=C3)OCCCC(=O)O

InChI

InChI=1S/C20H19NO3S/c22-20(23)6-3-13-24-17-9-11-18(12-10-17)25-14-16-8-7-15-4-1-2-5-19(15)21-16/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,23)